SCHEMBL1086573

SCHEMBL1086573

CCc1ccc(C)c(C)c1CC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.34
NSD2 O96028 1/20 0.34
HSP90AA1 P07900 1/20 0.34
PAX8 Q06710 1/20 0.34
NOS3 P29474 2/20 0.34
NOS2 P35228 2/20 0.34
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
GABRA1 P14867 2/20 0.32
GABRB2 P47870 2/20 0.32
CTRC Q99895 1/20 0.31
PON1 P27169 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NQO1 P15559 1/20 0.31
NOS1 P29475 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2A6 P11509 1/20 0.30
TSHR P16473 1/20 0.30
KDM4E B2RXH2 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29373928 1.00 TDP2 (0.34) TDP2NSD2HSP90AA1PAX8NOS3
SCHEMBL9838547 0.88 NOS3 (0.33) NOS3NOS2KDM4EPOLB
SCHEMBL27740520 0.84 KDM4E (0.38) NOS3NOS2ALDH1A1HTTTSHR
SCHEMBL9770172 0.82 TSHR (0.34) TDP2NSD2HSP90AA1PAX8NOS3
SCHEMBL4076418 0.82 NOS3 (0.40) NOS3NOS2HTTGABRA1GABRB2
SCHEMBL3456090 0.81 NOS2 (0.43) TDP2NSD2HSP90AA1PAX8NOS3
SCHEMBL28457544 0.80 NOS3 (0.39) TDP2NSD2HSP90AA1PAX8NOS3
SCHEMBL27649422 0.80 NOS3 (0.39) NOS3NOS2GABRA1GABRB2CTRC
SCHEMBL10747483 0.80 NOS3 (0.39) NOS3NOS2GABRA1GABRB2CTRC
SCHEMBL598503 0.79 TDP2 (0.37) TDP2NSD2HSP90AA1PAX8NOS3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 68 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115851377-B Extraction method for improving quality of Pterocarpus marsupium essential oil and application 江西省林业科学院 2024-06-25 CN claimed
CN-115851377-A Extraction method for improving quality of Pterocarpus marsupium essential oil and application thereof 江西省林业科学院 2023-03-28 CN claimed
CN-112678912-A Method for removing wax in quenching water for preparing olefin from methanol by extraction method 河北工业大学 2021-04-20 CN claimed
US-7563358-B2 Process for the production of benzene, toluene, and xylenes EXXONMOBIL CHEMICAL PATENTS INC. (US) 2009-07-21 US claimed
US-20080051615-A1 Process for the production of benzene, toluene, and xylenes EXXONMOBIL CHEMICAL PATENTS INC. 2008-02-28 US claimed
CN-115851377-B Extraction method for improving quality of Pterocarpus marsupium essential oil and application 江西省林业科学院 2024-06-25 CN disclosed
CN-114019044-B Method for analyzing structural characteristics of carbon skeleton of water-soluble organic molecules 中国石油大学(北京) 2023-07-04 CN disclosed
CN-115999536-A Gel-based nano metal catalyst and preparation method and application thereof 北京航空航天大学 2023-04-25 CN disclosed
CN-115851377-A Extraction method for improving quality of Pterocarpus marsupium essential oil and application thereof 江西省林业科学院 2023-03-28 CN disclosed
CN-114019044-A Method for analyzing structural characteristics of water-soluble organic molecular carbon skeleton 中国石油大学(北京) 2022-02-08 CN disclosed
CN-112678912-A Method for removing wax in quenching water for preparing olefin from methanol by extraction method 河北工业大学 2021-04-20 CN disclosed
US-10710942-B2 Method of co-processing fluidized catalytic cracking naphtha and pyrolysis gasoline SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2020-07-14 US disclosed
US-5663114-A CONTAINS VANADIUM AND SILVER; FOR VAPOR PHASE OXIDATION OF A TETRAALKYLBENZENE WITH A MOLECULAR OXYGEN CONTAINING GAS NIPPON SHOKUBAI CO., LTD. (JP) 1997-09-02 US disclosed
CN-1108152-A Catalyst for production of pyromellitic anhydride and method for production of pyromellitic anhydride NIPPON CATALYTIC CHEM IND (JP) 1995-09-13 CN disclosed
US-5418256-A Hydrocarbon solvent, degrading and extracting, hydrocarbon reaction products UNIVERSITY OF SOUTH ALABAMA (US) 1995-05-23 US disclosed
EP-0649677-A1 Catalyst for production of pyromellitic anhydride and process for production of pyromellitic anhydride NIPPON SHOKUBAI CO., LTD. (JP) 1995-04-26 EP disclosed
EP-0414207-B1 Method for preparing alpha-(-4-isobutylphenyl) propionic acid or its precursor NIPPON PETROCHEMICALS CO LTD (JP) 1994-08-03 EP disclosed
US-5166419-A Multistage reaction by catalytic dehydrogenation and reaction with carbon monoxide NIPPON PETROCHEMICALS CO., LTD. (JP) 1992-11-24 US disclosed
EP-0414207-A2 Method for preparing alpha-(-4-isobutylphenyl) propionic acid or its precursor NIPPON PETROCHEMICALS CO., LTD. (JP) 1991-02-27 EP disclosed
US-3997410-A Electrodeposition of aluminum GILEADI ELIEZER 1976-12-14 US disclosed